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Substance Name: 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide
RN: 131119-04-5
InChIKey: KNPUXTWHFSLCDT-BBYIEOQPSA-N

Molecular Formula

  • C16-H23-N3-O8

Molecular Weight

  • 385.371
 
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Names and Synonyms

Results Name

  • 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide

Synonym

  • 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide

Systematic Name

  • beta-D-Glucopyranosiduronic acid, 4-(methylnitrosoamino)-1-(3-pyridinyl)butyl

Registry Numbers

CAS Registry Number

  • 131119-04-5

Other Registry Numbers

  • 1005334-77-9
  • 151028-52-3
  • 152219-22-2
  • 187537-82-2
  • 188295-01-4
  • 194810-34-9

System Generated Number

  • 0131119045

Structure Descriptors

InChI

1S/C16H23N3O8/c1-19(18-25)7-3-5-10(9-4-2-6-17-8-9)26-16-13(22)11(20)12(21)14(27-16)15(23)24/h2,4,6,8,10-14,16,20-22H,3,5,7H2,1H3,(H,23,24)/t10?,11-,12-,13+,14-,16+/m0/s1

InChIKey

KNPUXTWHFSLCDT-BBYIEOQPSA-N

Smiles

O([C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)C(=O)O)[C@@H](CCCN(N=O)C)c1cnccc1